CID 6602199

2,7-methano-1h-3-benzazonin-9-ol, 2,3,4,5,6,7-hexahydro-7,12-dimethyl-3-(3-methyl-2-butenyl)-, hydrochloride, (2r-(2-alpha,7-alpha,12s*))-

Structural Information

Molecular Formula
C20H29NO
SMILES
C[C@@H]1[C@H]2CC3=C([C@@]1(CCCN2CC=C(C)C)C)C=C(C=C3)O
InChI
InChI=1S/C20H29NO/c1-14(2)8-11-21-10-5-9-20(4)15(3)19(21)12-16-6-7-17(22)13-18(16)20/h6-8,13,15,19,22H,5,9-12H2,1-4H3/t15-,19-,20-/m1/s1
InChIKey
MULQVSKPRKIRMH-CDHQVMDDSA-N
Compound name
(1R,9R,14S)-1,14-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

299.2249 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 172.5
[M+Na]+ 322.214118 177.7
[M-H]- 298.217624 174.4
[M+NH4]+ 317.258723 190.0
[M+K]+ 338.188058 175.5
[M+H-H2O]+ 282.222160 166.9
[M+HCOO]- 344.223101 183.5
[M+CH3COO]- 358.238751 181.4
[M+Na-2H]- 320.199566 174.6
[M]+ 299.22435142 167.6
[M]- 299.22544858 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe